--- trunk/OOPSE/libmdtools/SimInfo.cpp 2004/05/27 15:31:36 1201 +++ trunk/OOPSE/libmdtools/SimInfo.cpp 2004/06/01 17:15:43 1212 @@ -62,7 +62,8 @@ SimInfo::SimInfo(){ useReactionField = 0; useGB = 0; useEAM = 0; - useThermInt = 0; + useSolidThermInt = 0; + useLiquidThermInt = 0; haveCutoffGroups = false; @@ -445,7 +446,7 @@ void SimInfo::refreshSim(){ excl = excludes->getFortranArray(); #ifdef IS_MPI - n_global = mpiSim->getTotAtoms(); + n_global = mpiSim->getNAtomsGlobal(); #else n_global = n_atoms; #endif